2-((R)-1-(piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 2,2,2-trifluoroacetate

HCID 86643593

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3nc(N[C@H](C)C4CCNCC4)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1.O=C(O)C(F)(F)F
InChIKey
JJMIXJBHSDDFQU-UNTBIKODSA-N
분자식
C29H27F6N7O4S
평균 분자량
683.6 g/mol

이름 및 식별자

우선 이름
2-((R)-1-(piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 2,2,2-trifluoroacetate
IUPAC
4-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-2-[[(1R)-1-piperidin-4-ylethyl]amino]pyrimidine-5-carbonitrile;2,2,2-trifluoroacetic acid

이름 및 동의어

2-((R)-1-(piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 2,2,2-trifluoroacetateSCHEMBL3503320

데이터베이스 식별자

PubChem CID
86643593

물성

구조 계산 물성

극성 표면적
171 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
16
회전 가능 결합 수
6
무거운 원자 수
47

관련 반응

6건

화합물 노트

불러오는 중…

2-((R)-1-(piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile 2,2,2-trifluoroacetate (HCID 86643593)|Huagongshe